Information card for entry 7121727

Structure parameters

• Common name: dihexylamine
• Chemical name: dihexylamine
• Formula: C12 H27 N
• Calculated formula: C12 H27 N
• Title of publication: The simplest supramolecular helix.
• Authors of publication: Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6012 - 6015
• a: 4.856 ± 0.004 Å
• b: 7.056 ± 0.006 Å
• c: 36.24 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No